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1G27
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CRYSTAL STRUCTURE OF E.COLI POLYPEPTIDE DEFORMYLASE COMPLEXED WITH THE INHIBITOR BB-3497
Descriptor:POLYPEPTIDE DEFORMYLASE, NICKEL (II) ION, 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE
Authors:Clements, J.M., Beckett, P., Brown, A., Catlin, C., Lobell, M., Palan, S., Thomas, W., Whittaker, M., Baker, P.J., Rodgers, H.F., Barynin, V., Rice, D.W., Hunter, M.G.
Deposit date:2000-10-17
Release date:2001-10-17
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor.
Antimicrob.Agents Chemother., 45, 2001
1G2A
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THE CRYSTAL STRUCTURE OF E.COLI PEPTIDE DEFORMYLASE COMPLEXED WITH ACTINONIN
Descriptor:POLYPEPTIDE DEFORMYLASE, NICKEL (II) ION, ACTINONIN
Authors:Clements, J.M., Beckett, P., Brown, A., Catlin, C., Lobell, M., Palan, S., Thomas, W., Whittaker, M., Baker, P.J., Rodgers, H.F., Barynin, V., Rice, D.W., Hunter, M.G.
Deposit date:2000-10-18
Release date:2001-10-17
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor.
Antimicrob.Agents Chemother., 45, 2001
3I8V
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CRYSTAL STRUCTURE OF HUMAN PDE4A WITH 4-(3-BUTOXY-4-METHOXYPHENYL)METHYL-2-IMIDAZOLIDONE
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4A, ZINC ION, MAGNESIUM ION, ...
Authors:Cheng, R.K.Y., Crawley, L., Barker, J., Wood, M., Felicetti, B., Whittaker, M.
Deposit date:2009-07-10
Release date:2009-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of human PDE4a with 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone
To be Published
3IAK
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CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 4D (PDE4D) WITH PAPAVERINE.
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ...
Authors:Cheng, R.K.Y., Crawley, L., Barker, J., Wood, M., Felicetti, B., Whittaker, M.
Deposit date:2009-07-14
Release date:2009-09-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human phosphodiesterase 4d (PDE4d) with papaverine.
To be Published
3K4S
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THE STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN PDE4D WITH 4-(3-BUTOXY-4-METHOXYPHENYL)METHYL-2-IMIDAZOLIDONE
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one, ...
Authors:Crawley, L., Cheng, R.K.Y., Wood, M., Barker, J., Felicetti, B., Whittaker, M.
Deposit date:2009-10-06
Release date:2009-10-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The structure of the catalytic domain of human PDE4d with 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone
To be Published
3K5E
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THE STRUCTURE OF HUMAN KINESIN-LIKE MOTOR PROTEIN KIF11/KSP/EG5 IN COMPLEX WITH ADP AND ENASTROL.
Descriptor:Kinesin-like protein KIF11, (4S,5R)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Crawley, L., Cheng, R.K.Y., Wood, M., Barker, J., Felicetti, B., Whittaker, M.
Deposit date:2009-10-07
Release date:2009-10-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The structure of human kinesin-like motor protein Kif11/KSP/Eg5 in complex with ADP and enastrol.
To be Published
3K6L
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THE STRUCTURE OF E.COLI PEPTIDE DEFORMYLASE (PDF) IN COMPLEX WITH PEPTIDOMIMETIC LIGAND BB2827
Descriptor:Peptide deformylase, NICKEL (II) ION, (2S,3R)-N~4~-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide
Authors:Cheng, R.K.Y., Crawley, L., Wood, M., Barker, J., Felicetti, B., Whittaker, M.
Deposit date:2009-10-09
Release date:2009-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The structure of E.coli peptide deformylase (PDF) in complex with peptidomimetic ligand BB2827
To be Published
2WEY
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HUMAN PDE-PAPAVERINE COMPLEX OBTAINED BY LIGAND SOAKING OF CROSS- LINKED PROTEIN CRYSTALS
Descriptor:CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE, 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, ...
Authors:Andersen, O.A., Schonfeld, D.L., Toogood-Johnson, I., Felicetti, B., Albrecht, C., Fryatt, T., Whittaker, M., Hallett, D., Barker, J.
Deposit date:2009-04-02
Release date:2009-07-28
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cross-Linking of Protein Crystals as an Aid in the Generation of Binary Protein-Ligand Crystal Complexes, Exemplified by the Human Pde10A-Papaverine Structure.
Acta Crystallogr.,Sect.D, 65, 2009
3FHR
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HIGH RESOLUTION CRYSTAL STRUCTURE OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE 3 (MK3)-INHIBITOR COMPLEX
Descriptor:MAP kinase-activated protein kinase 3, 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Authors:Cheng, R.K.Y., Barker, J., Palan, S., Felicetti, B., Whittaker, M., Hesterkamp, T.
Deposit date:2008-12-10
Release date:2009-12-15
Last modified:2014-01-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution crystal structure of human Mapkap kinase 3 in complex with a high affinity ligand
Protein Sci., 19, 2010
3FXW
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HIGH RESOLUTION CRYSTAL STRUCTURE OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE 3/INHIBITOR 2 COMPLEX
Descriptor:MAP kinase-activated protein kinase 3, 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Authors:Cheng, R.K.Y., Barker, J., Palan, S., Felicetti, B., Whittaker, M., Hesterkamp, T.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3/inhibitor 2 complex
To be Published
3HYY
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CRYSTAL STRUCTURE OF HSP90 WITH FRAGMENT 37-D04
Descriptor:Heat shock protein HSP 90-alpha, methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate
Authors:Barker, J., Mather, O., Cheng, R.K.Y., Palan, S., Felicetti, B., Whittaker, M.
Deposit date:2009-06-23
Release date:2010-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Hsp90 with fragment 37-D04
TO BE PUBLISHED
3HYZ
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CRYSTAL STRUCTURE OF HSP90 WITH FRAGMENT 42-C03
Descriptor:Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine
Authors:Barker, J., Mather, O., Cheng, R.K.Y., Palan, S., Felicetti, B., Whittaker, M.
Deposit date:2009-06-23
Release date:2010-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Hsp90 with fragment 42-C03
TO BE PUBLISHED
3HZ1
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CRYSTAL STRUCTURE OF HSP90 WITH FRAGMENTS 37-D04 AND 42-C03
Descriptor:Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine, methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate
Authors:Barker, J., Mather, O., Cheng, R.K.Y., Palan, S., Felicetti, B., Whittaker, M.
Deposit date:2009-06-23
Release date:2010-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Hsp90 with fragments 37-D04 and 42-C03
TO BE PUBLISHED
3HZ5
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CRYSTAL STRUCTURE OF HSP90 WITH FRAGMENT Z064
Descriptor:Heat shock protein HSP 90-alpha, N-[4-(5-furan-2-yl-3-methyl-1H-pyrazol-4-yl)butyl]-N-methyl-7H-purin-6-amine
Authors:Barker, J., Mather, O., Cheng, R.K.Y., Palan, S., Felicetti, B., Whittaker, M.
Deposit date:2009-06-23
Release date:2010-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Hsp90 with fragment Z064
to be published
3KKT
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CRYSTAL STRUCTURE OF HUMAN PDE4B WITH 5-[3-[(1S,2S,4R)-BICYCLO[2.2.1]HEPT-2-YLOXY]-4-METHOXYP HENYL]TETRAHYDRO-2(1H)-PYRIMIDINONE REVEALS ORDERING OF THE C-TERMINAL HELIX RESIDUES 502-509.
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4B, ZINC ION, 5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1H)-one, ...
Authors:Cheng, R.K.Y., Crawley, L., Barker, J., Whittaker, M.
Deposit date:2009-11-06
Release date:2009-11-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of human PDE4b with 5-[3-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyp henyl]tetrahydro-2(1H)-pyrimidinone reveals ordering of the C-terminal helix residues 502-509.
To be Published
3KQ7
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STRUCTURE OF HUMAN P38ALPHA WITH N-[4-METHYL-3-(6-{[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]AMINO}PYRIDINE-3-AMIDO)PHENYL]-2-(MORPHOLIN-4-YL)PYRIDINE-4-CARBOXAMIDE
Descriptor:Mitogen-activated protein kinase p38 alpha, N-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}amino)pyridine-3-carboxamide, ACETATE ION
Authors:Cheng, R.K.Y., Barker, J., Whittaker, M.
Deposit date:2009-11-17
Release date:2009-12-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human p38alpha with N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide
TO BE PUBLISHED
3FT5
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STRUCTURE OF HSP90 BOUND WITH A NOVEL FRAGMENT
Descriptor:Heat shock protein HSP 90-alpha, 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
Authors:Barker, J.B., Mather, O., Cheng, R.K.Y., Palan, S., Felicetti, B.
Deposit date:2009-01-12
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based Identification of Hsp90 Inhibitors.
Chemmedchem, 4, 2009
3FT8
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STRUCTURE OF HSP90 BOUND WITH A NOVAL FRAGMENT.
Descriptor:Heat shock protein HSP 90-alpha, (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime
Authors:Barker, J.B., Cheng, R.K.Y., Palan, S., Felicetti, B.
Deposit date:2009-01-12
Release date:2009-06-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based identification of Hsp90 inhibitors.
Chemmedchem, 4, 2009